Crystallography Open Database

Information card for entry 4328994

Preview

Coordinates	4328994.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	tetra-(4-ethoxycarbonyl benzoate)- dirhodium (II,II),chlorobenzne solvate
Formula	C52 H46 Cl2 O16 Rh2
Calculated formula	C52 H46 Cl2 O16 Rh2
Title of publication	Dirhodium Paddlewheel with Functionalized Carboxylate Bridges: New Building Block for Self-Assembly and Immobilization on Solid Support
Authors of publication	D. Krishna Kumar; Alexander S. Filatov; Margaret Napier; Jinyu Sun; Evgeny V. Dikarev; Marina A. Petrukhina
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	4855 - 4861
a	12.646 ± 0.001 Å
b	16.2693 ± 0.0012 Å
c	25.792 ± 0.002 Å
α	90°
β	103.891 ± 0.001°
γ	90°
Cell volume	5151.3 ± 0.7 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1211
Residual factor for significantly intense reflections	0.06
Weighted residual factors for significantly intense reflections	0.1109
Weighted residual factors for all reflections included in the refinement	0.1332
Goodness-of-fit parameter for all reflections included in the refinement	1.022
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	Mo-Kα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4328994.cif
78034	2013-04-01	cif/ Adding structures of 4328994 via cif-deposit CGI script.	4328994.cif